Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27728672

CC(C)(C)OC=O.O=C(NCCC1CC1)c1ccc(N2CCNCC2)nn1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL936576 0.90 SCD (0.64) SCD
Tert-Butyl Formate SCHEMBL27708249 0.86 SCD (0.55) SCD
SCHEMBL936898 0.86 SCD (0.60) SCD
SCHEMBL936722 0.86 SCD (0.59) SCD
SCHEMBL936759 0.84 SCD (0.61) SCD
SCHEMBL2468860 0.79 SCD (0.65) SCD
SCHEMBL937260 0.79 SCD (0.71) SCD
SCHEMBL1814683 0.79 SCD (0.64) SCD
SCHEMBL1378549 0.78 SCD (0.81) SCD
SCHEMBL2465406 0.78 SCD (0.66) SCD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102600162-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2012-07-25 CN disclosed
CN-101160289-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-04-09 CN disclosed